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Octanoic acid, 1-methyltridecyl ester

View entire compound with spectra: 1 MS (GC)

Octanoic acid, 1-methyltridecyl ester
SpectraBase Compound ID XuCeK8YmIb
InChI InChI=1S/C22H44O2/c1-4-6-8-10-11-12-13-14-16-17-19-21(3)24-22(23)20-18-15-9-7-5-2/h21H,4-20H2,1-3H3
InChIKey QXSNVCKPMDUHJU-UHFFFAOYSA-N
Mol Weight 340.6 g/mol
Molecular Formula C22H44O2
Exact Mass 340.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zI9Hcp4G6V
Name Octanoic acid, 1-methyltridecyl ester
Alternate Name(s) 1-Methyltridecyl octanoate caprylic acid 1-methyltridecyl ester Octanoic acid tetradecan-2-yl ester Octanoic acid, 2-tetradecyl ester Tetradecan-2-yl octanoate
CAS Registry Number 55193-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-4-6-8-10-11-12-13-14-16-17-19-21(3)24-22(23)20-18-15-9-7-5-2/h21H,4-20H2,1-3H3
InChIKey QXSNVCKPMDUHJU-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES C(OC(CCCCCCC)=O)(CCCCCCCCCCCC)C
SPLASH splash10-0a6u-9400000000-37fd20fbd61975afdf71
Source of Spectrum TX-0-156-0
Wiley ID 1335594